Simulate the behavior of graphene in external electric fields

Автор: Panferov Anatolii Dmitrievich, Novikov Nikolai Andreevich, Trunov Alexandr Alexeevich

Журнал: Программные системы: теория и приложения @programmnye-sistemy

Рубрика: Программное и аппаратное обеспечение для супер ЭВМ

Статья в выпуске: 1 (48) т.12, 2021 года.

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The paper presents the results obtained in developing a complex for calculating the parameters of monolayer graphene under an external electric field's action. The used physical model allows detailed reproduction of such parameters but requires an extensive computation for exact values. The model is based on the system of kinetic equations that provide the calculation of the time-dependent distribution function of charge carriers in two-dimensional momentum space. The computational resource requirements are proportional to the number of the computational grid nodes that cover the momentum space. The model's behavior allows local grids that cover only a relatively small part of the computed function domain. We model the results of the action of short high-frequency pulses of an electric field and analyze the behavior of the model at the maximum level of the external field to search and localize regions in momentum space, the determination of the distribution function in which is sufficient to obtain the values of the observables. Such localization of distribution functions from calculations on relatively sparse grids works even for weak external electric fields. Obtaining the observed parameters requires calculating the integral characteristics of the distribution function in the two-dimensional momentum space. Its implementation in parallel with the simultaneous calculation of the distribution function's values on the optimized grid makes it unnecessary to preserve the values of the distribution function and possible to obtain only one-dimensional time series. Such representing data on the dynamics of the observed parameters is useful for analyzing the behavior of the model under consideration. (In~Russian).

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Numerical simulation, graphene, distribution function of charge carriers, optimal choice of the computational grid, calculation of the observed parameters

Короткий адрес: https://sciup.org/143175973

IDR: 143175973   |   DOI: 10.25209/2079-3316-2021-12-1-3-19

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